3-chloro-4-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine

C17H18Cl2N2O3S — CID 119100620

IUPAC3-chloro-4-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCC(Oc2ccncc2Cl)CC1
InChIInChI=1S/C17H18Cl2N2O3S/c1-12-14(18)3-2-4-17(12)25(22,23)21-9-6-13(7-10-21)24-16-5-8-20-11-15(16)19/h2-5,8,11,13H,6-7,9-10H2,1H3
InChIKeyVFVITVRCGNLNKO-UHFFFAOYSA-N
MW401.32 g/mol
LogP3.93
Rot. Bonds4

About 3-chloro-4-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine

3-chloro-4-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine (PubChem CID 119100620) has the molecular formula C17H18Cl2N2O3S and a molecular weight of 401.32 g/mol. Its IUPAC name is 3-chloro-4-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine.

Molecular Properties

Compound Name3-chloro-4-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine
PubChem CID119100620
Molecular FormulaC17H18Cl2N2O3S
Molecular Weight401.32 g/mol
Exact Mass400.04
IUPAC Name3-chloro-4-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCC(Oc2ccncc2Cl)CC1
InChIInChI=1S/C17H18Cl2N2O3S/c1-12-14(18)3-2-4-17(12)25(22,23)21-9-6-13(7-10-21)24-16-5-8-20-11-15(16)19/h2-5,8,11,13H,6-7,9-10H2,1H3
InChIKeyVFVITVRCGNLNKO-UHFFFAOYSA-N
XLogP3.93
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.32
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine?
The IUPAC name of 3-chloro-4-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine (CID 119100620) is 3-chloro-4-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine.
What is the SMILES notation for 3-chloro-4-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine?
The canonical SMILES for 3-chloro-4-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine is Cc1c(Cl)cccc1S(=O)(=O)N1CCC(Oc2ccncc2Cl)CC1.
What is the InChIKey of 3-chloro-4-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine?
The InChIKey is VFVITVRCGNLNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O3S/c1-12-14(18)3-2-4-17(12)25(22,23)21-9-6-13(7-10-21)24-16-5-8-20-11-15(16)19/h2-5,8,11,13H,6-7,9-10H2,1H3.
What are the key properties of 3-chloro-4-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine?
3-chloro-4-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine has a molecular weight of 401.32 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine is sourced from PubChem (CID 119100620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).